BDBM50001490 1-Propyl-3,7-dihydro-purine-2,6-dione::CHEMBL39986

SMILES: CCCn1c(=O)[nH]c2nc[nH]c2c1=O

InChI Key: InChIKey=IWBONKMODGBEOX-UHFFFAOYSA-N

Data: 10 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50001490   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity at human Adenosine A2B receptor expressed in HEK-293 cells, using [125I]-ABOPX as radioligand				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Rattus norvegicus)	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]-APOBX binding to rat Adenosine A2B receptor expressed in HEK cells				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Inhibition of [125I]-I-AB-MECA binding to human Adenosine A3 receptor				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine A1 receptor (GUINEA PIG)	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]-CPX.				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes & Digestive & Kidney Diseases Curated by ChEMBL					Assay Description Binding affinity of [3H]-R-PIA for rat Adenosine A2B receptor in HEK-293 cells				J Med Chem 45: 2131-8 (2002) BindingDB Entry DOI: 10.7270/Q2V1243G
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]-N6-R-phenylisopropyladenosine (R-PIA) as radioligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard-Karls-Universität Tübingen Curated by ChEMBL					Assay Description Binding affinity to A1 adenosine receptor from rat cortical membrane in presence of [3H]-R-(phenylisopropyl)-adenosine				J Med Chem 37: 1526-34 (1994) BindingDB Entry DOI: 10.7270/Q28P5ZJN
					More data for this Ligand-Target Pair
Adenosine A2a receptor (GUINEA PIG)	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Affinity against adenosine A2 receptor in the brain membranes measured by the displacement of [3H]-CPX				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine A2 receptor (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmazeutische Chemie Curated by ChEMBL					Assay Description Binding affinity against Adenosine A2 receptor in rat striatal membranes using [3H]5'-(N-ethylcarboxamido)-adenosine (NECA) as the ligand				J Med Chem 36: 3341-9 (1993) BindingDB Entry DOI: 10.7270/Q26Q1W9W
					More data for this Ligand-Target Pair
Phosphodiesterase 4 (Homo sapiens (Human))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Inhibition of c-AMP phosphodiesterase activity in guinea pig tracheal muscle				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50001490 (1-Propyl-3,7-dihydro-purine-2,6-dione | CHEMBL3998...) Show SMILES CCCn1c(=O)[nH]c2nc[nH]c2c1=O Show InChI InChI=1S/C8H10N4O2/c1-2-3-12-7(13)5-6(10-4-9-5)11-8(12)14/h4H,2-3H2,1H3,(H,9,10)(H,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	6.20E+4	n/a	n/a	n/a	n/a
Hokuriku University Curated by ChEMBL					Assay Description Relexant activity on the spontaneous tone of isolated guinea pig tracheal ring chains.				J Med Chem 35: 4039-44 (1992) BindingDB Entry DOI: 10.7270/Q2CF9P23
					More data for this Ligand-Target Pair